CID 12356512

3-bromo-4-chlorothiophene

Structural Information

Molecular Formula
C4H2BrClS
SMILES
C1=C(C(=CS1)Br)Cl
InChI
InChI=1S/C4H2BrClS/c5-3-1-7-2-4(3)6/h1-2H
InChIKey
VNCFHBFARUKCOA-UHFFFAOYSA-N
Compound name
3-bromo-4-chlorothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

195.87491 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.88219 122.5
[M+Na]+ 218.86413 138.2
[M-H]- 194.86763 130.2
[M+NH4]+ 213.90873 149.2
[M+K]+ 234.83807 125.9
[M+H-H2O]+ 178.87217 125.2
[M+HCOO]- 240.87311 137.7
[M+CH3COO]- 254.88876 176.5
[M+Na-2H]- 216.84958 128.3
[M]+ 195.87436 144.1
[M]- 195.87546 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe